SCHEMBL6165692

SCHEMBL6165692

N#Cc1cccc(-c2ccccc2Cc2cc(C#N)ccc2C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.55
PTGDR2 Q9Y5Y4 3/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CDC7 O00311 1/20 0.43
CSF1R P07333 1/20 0.41
ADRA1D P25100 1/20 0.39
TNF P01375 1/20 0.39
PLA2G2A P14555 2/20 0.39
PLA2G10 O15496 1/20 0.39
PARP1 P09874 1/20 0.39
MAPK8 P45983 1/20 0.38
JAK2 O60674 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KCNA5 P22460 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAOB P27338 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6165365 0.90 IRAK4 (0.44) ADRA2CPTGDR2IKBKBCHUKXDH
SCHEMBL6163618 0.82 ADRA2C (0.52) ADRA2CPTGDR2IKBKBCHUKXDH
SCHEMBL20703692 0.80 BCAT2 (0.59) ADRA2CPTGDR2IKBKBCHUKXDH
SCHEMBL6164911 0.75 ADRA2C (0.61) ADRA2CPTGDR2XDHSLC22A12MAOB
SCHEMBL6166155 0.74 ADRA2C (0.68) ADRA2CPTGDR2XDHSLC22A12KCNA5
SCHEMBL6167622 0.74 ADRA2C (0.77) ADRA2CPTGDR2MAOB
SCHEMBL10980808 0.74 ADRA2C (0.68) ADRA2CPTGDR2MAOB
SCHEMBL6161710 0.73 IKBKB (0.45) ADRA2CIKBKBCHUKXDHSLC22A12
SCHEMBL5178408 0.73 KDM4E (0.41) IKBKBCHUKXDHSLC22A12ADRA1D
SCHEMBL7106844 0.72 PARP1 (0.43) ADRA2CPTGDR2CDC7CSF1RPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI ADRA2C 1810/4885PTGDR2 2161/4885IKBKB 1303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.